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CHEBI:64546 - fumiquinazoline A

ChEBI IDCHEBI:64546
ChEBI Namefumiquinazoline A
Stars
DefinitionA fumiquinazoline that consists of imidazoindole and pyrazinoquinazoline units connected by a methylene group.
Last Modified9 May 2012
SubmitterSteve
DownloadsMolfile
FormulaC24H23N5O4
Net Charge0
Average Mass445.479
Monoisotopic Mass445.17500
SMILES[H][C@]12N[C@@H](C)C(=O)N1c1ccccc1[C@@]2(O)C[C@@H]1C(=O)N[C@@H](C)c2nc3ccccc3c(=O)n21
InChIInChI=1S/C24H23N5O4/c1-12-19-27-16-9-5-3-7-14(16)22(32)28(19)18(20(30)25-12)11-24(33)15-8-4-6-10-17(15)29-21(31)13(2)26-23(24)29/h3-10,12-13,18,23,26,33H,11H2,1-2H3,(H,25,30)/t12-,13-,18+,23-,24-/m0/s1
InChIKeyDQQCCKFZJNINST-VCPZKGNQSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
fumiquinazoline A (CHEBI:64546) is a fumiquinazoline (CHEBI:64545)
fumiquinazoline A (CHEBI:64546) is a imidazoindole (CHEBI:64547)
fumiquinazoline A (CHEBI:64546) is a pyrazinoquinazoline (CHEBI:64548)
IUPAC Name 
(1S,4R)-4-{[(2S,9S,9aS)-9-hydroxy-2-methyl-3-oxo-2,3,9,9a-tetrahydro-1H-imidazo[1,2-a]indol-9-yl]methyl}-1-methyl-2H-pyrazino[2,1-b]quinazoline-3,6(1H,4H)-dione
Registry NumbersSources
Reaxys:5387014Reaxys
Citations